Retrospective Transformations

retrospective transformations plot - all transformations retrospective transformations plot - reliable transformations retrospective transformations plot - no racemates
Showing 1 through 15 of 1787
RUN Initial microstate Final microstate ΔΔG / kcal M-1 ΔΔGexp / kcal M-1 |ΔΔG-ΔΔGexp| / kcal M-1 Work distribution Convergence
RUN96 MAT-POS-b3e365b9-1_1 molecule ALP-POS-477dc5b7-3_1 molecule −0.7 ± 0.2 3.4 ± 0.2 3.8 ± 0.3 work distributions convergence plot
RUN100 MAT-POS-b3e365b9-1_1 molecule ALP-POS-477dc5b7-3_2 molecule 0.0 ± 0.2 3.4 ± 0.2 3.8 ± 0.3 work distributions convergence plot
RUN22 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-3_1 molecule −0.4 ± 0.1 3.0 ± 0.2 3.3 ± 0.2 work distributions convergence plot
RUN44 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-8_1 molecule −0.13 ± 0.07 1.9 ± 0.2 2.1 ± 0.2 work distributions convergence plot
RUN119 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-3_1 molecule 1.9 ± 0.2 3.5 ± 0.2 1.6 ± 0.2 work distributions convergence plot
RUN181 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-2_1 molecule 2.5 ± 0.2 0.9 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN159 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-7_1 molecule 0.3 ± 0.1 1.5 ± 0.2 1.2 ± 0.2 work distributions convergence plot
RUN12 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-11_1 molecule −0.96 ± 0.05 0.1 ± 0.2 1.1 ± 0.2 work distributions convergence plot
RUN128 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8e4737f4-1_1 molecule 1.9 ± 0.2 2.9 ± 0.2 1.1 ± 0.3 work distributions convergence plot
RUN8 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-13_1 molecule −0.5 ± 0.1 0.4 ± 0.2 0.9 ± 0.2 work distributions convergence plot
RUN39 MAT-POS-b3e365b9-1_1 molecule MAT-POS-11b63608-1_1 molecule 0.06 ± 0.05 1.1 ± 0.2 0.6 ± 0.2 work distributions convergence plot
RUN138 MAT-POS-b3e365b9-1_1 molecule MAT-POS-11b63608-1_2 molecule 2.4 ± 0.2 1.1 ± 0.2 0.6 ± 0.2 work distributions convergence plot
RUN36 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-2_1 molecule −0.05 ± 0.05 0.3 ± 0.2 0.3 ± 0.2 work distributions convergence plot
RUN15 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-15_1 molecule 0.01 ± 0.02 0.6 ± 0.2 0.1 ± 0.2 work distributions convergence plot
RUN136 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-15_2 molecule 2.9 ± 0.1 0.6 ± 0.2 0.1 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T08:14:44.010582+00:00
Generated by fah-xchem version 0.1.0+76.g1a4d290.dirty